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Compound Detail

CHEMBL5393763

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COc1ccc(C2=NN(C(=O)CCl)C(c3cccc(OC)c3OC)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5393763
Phase Preclinical
Structure Type MOL
InChI Key CALVCCFLARCGNI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
3.63
ALogP
5
HBA
0
HBD
60.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2O4
MW 388.85
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
YAP1-TEAD4
CHEMBL5465250
 IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
YAP1-TEAD4 IC50 = 1100.0 nM 5.96 Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... 37731696

Literature References

PubMed DOI Target Context # Activities
37731696 10.1039/d3md00264k YAP1-TEAD4 3
37731696 10.1039/d3md00264k Unchecked 3

Data from ChEMBL 36 via Core Engine